Utilize este identificador para referenciar este registo: http://hdl.handle.net/1822/48427

TítuloAdsorption of H₂, O₂, H₂O, OH and H on monolayer MoS₂
Autor(es)Ferreira, Fábio
Carvalho, Alexandra
Moura, Ícaro J M
Coutinho, José
Ribeiro, R. M.
EditoraInstitute of Physics Publishing
RevistaJournal of Physics: Condensed Matter
Resumo(s)Hydrogen and hydrogen-containing gases are commonly used as reductants in chemical vapor deposition (CVD) growth of MoS<sub>2</sub>. Here, we consider the defects resulting from the presence of hydrogen during growth and the resulting electronically active defects. In particular, we find that the interstitial hydrogen defect is a negative-$U$ center with amphoteric donor and acceptor properties. Additionally, we consider the effects of the interaction with water and oxygen. The defects are analysed using density functional theory calculations.
Arbitragem científicayes
AcessoembargoedAccess (1 Year)
Aparece nas coleções:CDF - CEP - Artigos/Papers (with refereeing)

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